Geometry & MOs

Info

ID:	22532
PubChem CID:	597544
Reduced:	SO2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	329.094646
ΔH_f, kcal/mol:	16.9
Dipole, Da:	1.63
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[(6-amino-7H-purin-8-yl)sulfanyl]ethoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OCCSC2=NC3=NC=NC(=C3N2)N

DOS

IR

Vibrations